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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required9-Sep-2024Product_2a_Nuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-968.788328845; Eh
Login required9-Sep-2024NFSI-KNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-2214.90011040; Eh
Login required9-Sep-2024NFSINuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-1714.63168024; Eh
Login required9-Sep-2024/Mecanism_Fig_1 Int_VIIINuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDSDD 6-31G(D,P) GENECP-1568.14120615; Eh
Login required9-Sep-2024/Mecanism_Fig_1 Int_VIINuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-2448.01232299; Eh
Login required9-Sep-2024/Mecanism_Fig_1 Int_VINuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-1748.24205410; Eh
Login required9-Sep-2024/Mecanism_Fig_1 Int_VNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-2772.44996548; Eh
Login required9-Sep-2024/Mecanism_Fig_1 Int_IINuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-458.419831314; Eh
Login required9-Sep-2024/Mecanism_Fig_1 Int_IVNuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P) GENECP-557.538368105; Eh
Login required9-Sep-2024/Mecanism_Fig_2 Int_IIINuñez, GonzaloGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDSDD 6-31G(D,P) GENECP-1992.98132274; Eh
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